2,4,6-triphenyl-4H-thiopyran

C23H18S — CID 629780

IUPAC2,4,6-triphenyl-4H-thiopyran
SMILESC1=C(c2ccccc2)SC(c2ccccc2)=CC1c1ccccc1
InChIInChI=1S/C23H18S/c1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)24-23(17-21)20-14-8-3-9-15-20/h1-17,21H
InChIKeyPOJUGLCYFXHQPP-UHFFFAOYSA-N
MW326.46 g/mol
LogP6.60
Rot. Bonds3

About 2,4,6-triphenyl-4H-thiopyran

2,4,6-triphenyl-4H-thiopyran (PubChem CID 629780) has the molecular formula C23H18S and a molecular weight of 326.46 g/mol. Its IUPAC name is 2,4,6-triphenyl-4H-thiopyran.

Molecular Properties

Compound Name2,4,6-triphenyl-4H-thiopyran
PubChem CID629780
Molecular FormulaC23H18S
Molecular Weight326.46 g/mol
Exact Mass326.11
IUPAC Name2,4,6-triphenyl-4H-thiopyran
SMILESC1=C(c2ccccc2)SC(c2ccccc2)=CC1c1ccccc1
InChIInChI=1S/C23H18S/c1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)24-23(17-21)20-14-8-3-9-15-20/h1-17,21H
InChIKeyPOJUGLCYFXHQPP-UHFFFAOYSA-N
XLogP6.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.46
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-triphenyl-4H-thiopyran?
The IUPAC name of 2,4,6-triphenyl-4H-thiopyran (CID 629780) is 2,4,6-triphenyl-4H-thiopyran.
What is the SMILES notation for 2,4,6-triphenyl-4H-thiopyran?
The canonical SMILES for 2,4,6-triphenyl-4H-thiopyran is C1=C(c2ccccc2)SC(c2ccccc2)=CC1c1ccccc1.
What is the InChIKey of 2,4,6-triphenyl-4H-thiopyran?
The InChIKey is POJUGLCYFXHQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18S/c1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)24-23(17-21)20-14-8-3-9-15-20/h1-17,21H.
What are the key properties of 2,4,6-triphenyl-4H-thiopyran?
2,4,6-triphenyl-4H-thiopyran has a molecular weight of 326.46 g/mol, XLogP of 6.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triphenyl-4H-thiopyran is sourced from PubChem (CID 629780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).